SCHEMBL555451

SCHEMBL555451

O=C1[N]c2ccccc2C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.52
CASP3 P42574 2/20 0.45
CASP7 P55210 2/20 0.45
CASP6 P55212 2/20 0.45
CASP8 Q14790 2/20 0.45
CASP2 P42575 1/20 0.45
PDGFRA P16234 1/20 0.43
FER P16591 1/20 0.43
LTK P29376 1/20 0.43
CDK8 P49336 1/20 0.43
ACVR1 Q04771 1/20 0.43
LRRK2 Q5S007 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
TDP2 O95551 2/20 0.39
CASP9 P55211 1/20 0.39
MAP3K14 Q99558 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21296775 1.00 GSK3B (0.52) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL7980321 0.79 MAPT (0.56) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL3541281 0.79 GSK3B (0.48) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL7008952 0.79 LRRK2 (0.45) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL20505096 0.73 MAPT (0.44) GSK3BCASP3CASP7PDGFRAFER
SCHEMBL20723 0.73 MAPT (0.44) GSK3BCASP3CASP7PDGFRAFER
SCHEMBL8919879 0.71 CYP1A2 (0.57) GSK3BPDGFRAFERLTKCDK8
Phthalimide SCHEMBL64 0.70 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL11040503 0.70 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL29366030 0.70 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 743 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP claimed
EP-2496559-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS VITAE PHARMACEUTICALS INC (US) 2018-01-10 EP claimed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP claimed
US-9663470-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US claimed
EP-2288596-B1 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2016-11-30 EP claimed
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-22 US claimed
US-9328072-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP claimed
US-9073870-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US claimed
US-8859580-B2 Aryl- and heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US claimed
EP-0794953-B1 QUINAZOLINE DERIVATIVES ZENECA LTD (GB) 1999-05-06 EP claimed
WO-1998058058-A1 HAMMERHEAD RIBOZYMES WITH EXTENDED CLEAVAGE RULE RIBOZYME PHARMACEUTICALS, INC. (US) 1998-12-23 WO claimed
EP-0866865-A1 CHIMERIC OLIGOMERS HAVING AN RNA-CLEAVAGE ACTIVITY Vimrx Holdings, Ltd. (US) 1998-09-30 EP claimed
WO-1997018312-A9 CHIMERIC OLIGOMERS HAVING AN RNA-CLEAVAGE ACTIVITY 1998-08-13 WO claimed
WO-1998011128-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1998-03-19 WO claimed
EP-0389352-B1 4-Fluoro-benzene derivatives, process for their preparation and pharmaceutical compositions containing these compounds ADIR (FR) 1994-04-13 EP claimed
EP-0254627-B1 DERIVATIVES OF BENZHYDRYLOXYETHYLPIPERAZINE, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Société anonyme: LES LABORATOIRES MERAM (FR) 1992-06-17 EP claimed
US-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 US claimed
EP-0076530-B1 NOVEL N-(3-HYDROXY-4-PIPERIDINYL)BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-11 EP claimed
EP-0076530-A2 Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-04-13 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 GSK3B 635/4885CASP3 1273/4885CASP7 2360/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.